Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | MGAM | O43451 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | SI | P14410 | 1/20 | 0.34 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.34 |
| ▸ | STK4 | Q13043 | 1/20 | 0.34 |
| ▸ | STK3 | Q13188 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | KIT | P10721 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | MET | P08581 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 1/20 | 0.31 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL783045 | 0.75 | ADORA3 (0.38) | GSK3BMGAMGAASIMGAM2 | |
| SCHEMBL796841 | 0.69 | GSK3B (0.39) | GSK3BMGAMGAASIMGAM2 | |
| SCHEMBL796842 | 0.69 | GSK3B (0.39) | GSK3BMGAMGAASIMGAM2 | |
| SCHEMBL805371 | 0.64 | NAE1 (0.45) | GSK3BSTK4STK3ADORA3ADORA2A | |
| SCHEMBL783584 | 0.63 | PARP1 (0.53) | GSK3BMGAMGAASIMGAM2 | |
| SCHEMBL15007274 | 0.62 | GSK3B (0.46) | GSK3BMGAMGAASIMGAM2 | |
| Hydrochloric Acid SCHEMBL8595784 | 0.61 | MAP4K4 (0.54) | GSK3BMGAMGAASIMGAM2 | |
| SCHEMBL783619 | 0.60 | NAE1 (0.61) | — | |
| SCHEMBL15007272 | 0.60 | GSK3B (0.46) | GSK3BMGAMGAASIMGAM2 | |
| SCHEMBL3332631 | 0.54 | MGAM (0.74) | MGAMGAASIMGAM2ADORA3 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2049491-B1 | HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES | MILLENNIUM PHARM INC (US) | 2010-10-20 | — | — | EP | disclosed |